Geometry & MOs

Info

ID:	378468
PubChem CID:	134224550
Reduced:	N2O2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	621.33667
ΔH_f, kcal/mol:	3.65
Dipole, Da:	5.64
IP(EA), eV:	-8.64(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[1-(1-adamantyl)ethylcarbamoyl]phenyl]-6-(diethylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

C/C=C(\C(=C/C=C)\NC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2)/N

DOS

IR

Vibrations